6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H14BrN — CID 83912581

IUPAC6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(Br)ccc21
InChIInChI=1S/C11H14BrN/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h5-7,11,13H,2-4H2,1H3
InChIKeyNITCKKCCRMYAKU-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.05
Rot. Bonds1

About 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 83912581) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID83912581
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(Br)ccc21
InChIInChI=1S/C11H14BrN/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h5-7,11,13H,2-4H2,1H3
InChIKeyNITCKKCCRMYAKU-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid
CID 118139241
5-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 131174975
(1R)-N-methyl-6-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172789677
6-bromo-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 18469942
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
2-bromo-5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167601855
6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63499231
N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172842465
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide
CID 155181426
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
5-bromo-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 63420530
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 83912581) is 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NITCKKCCRMYAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h5-7,11,13H,2-4H2,1H3.
What are the key properties of 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 83912581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).